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Cryptomelane |
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Vicat J, Fanchon E, Strobel P, Tran Qui D |
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Acta Crystallographica B42 (1986) 162-167 |
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The structure of K1.33Mn8O16 and cation ordering in hollandite-type structures |
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Locality: synthetic |
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_cod_database_code 1008322 |
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_database_code_amcsd 0016237 |
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9.866 9.866 2.872 90 90 90 I4/m |
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atom x y z occ |
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K 0 0 .3754 .3333 |
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Mn .34891 .16621 0 |
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O1 .15445 .20295 0 |
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O2 .54206 .16496 0 |
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Ba1.2Ti6.8Mg1.2O16 |
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Fanchon E, Vicat J, Hodeau J, Wolfers P, Duc Tran Qui, Strobel P |
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Acta Crystallographica B43 (1987) 440-448 |
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Commensurate ordering and domains in the Ba1.2Ti6.8Mg1.2O16 hollandite |
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_cod_database_code 1008813 |
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_database_code_amcsd 0016683 |
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10.227 14.907 9.964 90 90.77 90 I2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba1 0 .13264 0 .0133 .0180 .0146 0 .0006 0 |
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Ba2 0 .5 0 .0183 .0171 .0173 0 .0005 0 |
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Ti1 .6556 0 .1630 .85 |
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Mg1 .6556 0 .1630 .15 |
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Ti2 .6428 .1993 .1779 .85 |
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Mg2 .6428 .1993 .1779 .15 |
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Ti3 .6474 .4001 .1629 .85 |
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Mg3 .6474 .4001 .1629 .15 |
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Ti4 .1580 0 .3400 .85 |
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Mg4 .1580 0 .3400 .15 |
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Ti5 .1731 .1993 .3540 .85 |
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Mg5 .1731 .1993 .3540 .15 |
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Ti6 .1613 .3999 .3476 .85 |
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Mg6 .1613 .3999 .3476 .15 |
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O1 .845 0 .195 |
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O2 .842 .201 .1974 |
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O3 .842 .4017 .200 |
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O4 .851 0 .461 |
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O5 .8449 .200 .4576 |
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O6 .8363 .3989 .460 |
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O7 .203 0 .149 |
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O8 .2048 .198 .151 |
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O9 .206 .4004 .150 |
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O10 .462 0 .169 |
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O11 .4573 .201 .1716 |
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O12 .459 .3994 .1838 |
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H23.5 O36.5 P8 Tl3.5 |
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Chiadmi M, Vicat J, Tran Qui D, Boudjada A |
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Acta Crystallographica C41 (1985) 811-814 |
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Structure de l'orthophosphate acide de thallium a valence mixte, |
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(Tl3 (Tl0.5 (H3 O)0.5) H14 (P O4)8) (H2 O)4 |
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_cod_database_code 1008945 |
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_database_code_amcsd 0016809 |
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9.820 9.973 17.87 90.14 90.01 119.46 P-1 |
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atom x y z occ |
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Tl1 .6634 .0001 .25013 |
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Tl2 .8125 .5759 .24197 |
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Tl3 .2367 .4242 .25821 |
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Tl4 .2407 .0001 .25006 .5 |
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P1 .1153 .6422 .3606 |
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P2 .3591 .7497 .1399 |
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P3 .9968 .1081 .3641 |
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P4 .4734 .3579 .1400 |
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P5 .8892 .8924 .1366 |
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P6 .5787 .6756 .3475 |
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P7 .6093 .25 .3609 |
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P8 .9033 .3248 .1520 |
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O1 .132 .503 .340 |
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O2 .035 .689 .303 |
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O3 .033 .615 .436 |
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O4 .274 .785 .380 |
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O5 .436 .759 .065 |
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O6 .197 .734 .117 |
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O7 .449 .901 .183 |
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O8 .342 .610 .174 |
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O9 .989 .952 .370 |
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O10 .016 .168 .445 |
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O11 .148 .211 .322 |
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O12 .851 .092 .333 |
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O13 .627 .496 .157 |
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O14 .484 .208 .122 |
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O15 .347 .310 .197 |
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O16 .418 .386 .063 |
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O17 .850 .836 .053 |
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O18 .933 .786 .174 |
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O19 .044 .051 .133 |
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O20 .755 .904 .166 |
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O21 .449 .509 .330 |
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O22 .532 .791 .323 |
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O23 .738 .705 .317 |
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O24 .596 .697 .435 |
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O25 .546 .099 .318 |
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O26 .675 .239 .437 |
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O27 .732 .392 .323 |
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O28 .464 .264 .385 |
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O29 .941 .491 .169 |
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O30 .027 .290 .187 |
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O31 .738 .207 .179 |
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O32 .901 .305 .066 |
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O33 .291 .012 .998 |
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O34 .285 .992 .498 |
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O35 .180 .446 .999 |
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O36 .262 .444 .503 |
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O37 .2407 .0001 .25006 .5 |
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As H2 Li O4 |
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Fanchon E, Vicat J, Duc Tran Qui, Boudjada A |
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Acta Crystallographica C43 (1987) 1022-1025 |
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Absolute structure of LiH2AsO4 |
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_cod_database_code 1008335 |
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_database_code_amcsd 0016246 |
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6.416 7.727 7.298 90 90 90 Pna2_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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As1 .30199 .42074 .17317 .0146 .0122 .0105 .0010 .0009 .0016 |
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O1 .2796 .3141 .3676 .0173 .0218 .0139 .0019 .0021 .0064 |
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O2 .4218 .6172 .1998 .0330 .0196 .0133 -.0091 -.0041 .0024 |
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O3 .0612 .4887 .0956 .0186 .0161 .0284 .0011 -.0068 .0042 |
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O4 .4216 .3093 .0098 .0293 .0195 .0160 .0063 .0077 .0018 |
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Li1 .4835 .7847 -.0001 .0186 .0225 .0131 -.0002 -.0018 .0002 |
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H1 -.009 .359 .034 |
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H2 .473 .632 .296 |
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Cs1.062 O16 Ti8 |
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Fanchon E, Hodeau J, Vicat J, Watts J |
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Journal of Solid State Chemistry 92 (1991) 88-100 |
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Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of |
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the mixed valence CsTi8O16 hollandite: structuresat 297 and 673K |
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_cod_database_code 1008513 |
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_database_code_amcsd 0016406 |
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14.524 14.524 5.936 90 90 90 I4_1/a |
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atom x y z occ |
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Cs1 0 0 0 .509 |
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Cs2 0 0 .5 .148 |
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Cs3 0 0 .059 .101 |
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Cs4 0 0 .558 .101 |
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Ti1 .25813 .40887 .99632 |
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Ti2 .24368 .09203 .99582 |
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O1 .1834 .5257 -.0048 |
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O2 .3517 .3134 .0041 |
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O3 .3168 -.0253 -.0042 |
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O4 .1479 .1857 .0025 |
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Cs1.1 O16 Ti8 |
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Fanchon E, Hodeau J, Vicat J, Watts J |
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Journal of Solid State Chemistry 92 (1991) 88-100 |
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Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of |
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the mixed valence CsTi8O16 hollandite: structures at 297 and 673K |
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_cod_database_code 1008514 |
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_database_code_amcsd 0016407 |
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10.317 10.317 2.980 90 90 90 I4/m |
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atom x y z occ |
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Cs1 0 0 .5 .55 |
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Ti1 .3491 .1659 0 |
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O1 .1583 .2078 0 |
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O2 .5383 .1649 0 |
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| Download AMC data (View Text File)
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